Description
(E)-4-(4-Methylpiperazin-1-yl)but-2-enoic acid hydrochloride (CAS No. 1472802-56-4) is a high-purity organic compound with the molecular formula C9H17ClN2O2. This hydrochloride salt features an (E)-configured butenoic acid backbone substituted with a 4-methylpiperazine moiety, making it a valuable intermediate for pharmaceutical and biochemical research. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Ideal for medicinal chemistry, it serves as a versatile building block in the development of novel therapeutics, particularly in kinase inhibitor and receptor modulator studies. Store in a cool, dry environment under inert conditions to maintain stability.
Properties
- CAS Number: 1472802-56-4
- Complexity: 196
- IUPAC Name: (E)-4-(4-methylpiperazin-1-yl)but-2-enoic acid;hydrochloride
- InChI: InChI=1S/C9H16N2O2.ClH/c1-10-5-7-11(8-6-10)4-2-3-9(12)13;/h2-3H,4-8H2,1H3,(H,12,13);1H/b3-2+;
- InChI Key: BBIQRJIBVXQRPR-SQQVDAMQSA-N
- Exact Mass: 220.0978555
- Molecular Formula: C9H17ClN2O2
- Molecular Weight: 220.69
- SMILES: CN1CCN(CC1)C/C=C/C(=O)O.Cl
- Topological: 43.8
- Monoisotopic Mass: 220.0978555
- Synonyms: (E)-4-(4-Methylpiperazin-1-yl)but-2-enoic acid hydrochloride, 1472802-56-4, (E)-4-(4-Methylpiperazin-1-yl)but-2-enoicacidhydrochloride, (E)-4-(4-methylpiperazin-1-yl)but-2-enoic acid;hydrochloride, 4-(4-Methylpiperazin-1-yl)but-2-enoic acid hydrochloride, SCHEMBL27146943, MFCD30067574, AKOS030624235, BS-15808, CS-0198935, D83975
Application
(E)-4-(4-Methylpiperazin-1-yl)but-2-enoic acid hydrochloride is primarily used in medicinal chemistry as a key intermediate for synthesizing biologically active molecules. Its structural features make it suitable for developing kinase inhibitors and GPCR-targeting compounds. Researchers leverage this compound in structure-activity relationship (SAR) studies to optimize drug candidates. It also finds utility in peptide mimetics and prodrug design due to its carboxylic acid functionality.
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